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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Structural studies of antiviral inhibitor with HIV-1 protease bearing drug resistant substitutions of V32I, I47V and V82I

HIV-1 protease inhibitors are effective in HIV/AIDS therapy, although drug resistance is a severe problem. This study examines the effects of four investigational inhibitors against HIV-1 protease with drug resistant mutations of V32I, I47V and V82I (PR Tri ) that model the inhibitor-binding site of HIV-2 protease. These inhibitors contain diverse chemical modifications on the darunavir scaffold and form new interactions with wild type protease, however, the measured inhibition constants for PR Tri mutant range from 17 to 40 nM or significantly worse than picomolar values reported for wild type enzyme. The X-ray crystal structure of PR Tri mutant in complex with inhibitor 1 at 1.5 Å resolution shows minor changes in interactions with inhibitor compared with the corresponding wild type PR complex. Instead, the basic amine at P2 of inhibitor together with mutation V82I induces two alternate conformations for the side chain of Arg8 with new interactions with inhibitor and Leu10. Hence, inhibition is influenced by small coordinated changes in hydrophobic interactions.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1986

Interactions between stationary planetary waves in the stratosphere

The interactions between stationary planetary waves 1 and 2 are investigated using a truncated quasi-geostrophic model in a midlatitude beta channel. The model includes eight interacting horizontal modes with three zonal wave numbers and two meridional scales in a quasi-geostrophic beta channel 40 deg wide; all wave-wave interactions in the model are a result of dissipation. The procedures for solving the model equations are examined. The theory of dissipation-induced interactions is discussed in terms of interactions between weak waves under severe truncation. The behavior of small amplitude waves 1 and 2 in basic states is discussed; it is observed that wave 1 is amplified in a wave 2 basic state, and a wave 2 disturbance in a wave 1 basic state is affected by the relative phases of the waves. The dynamics of these wave interactions are analyzed using potential enstrophy budgets of the waves. The relevance of the waves to the atmosphere is studied. It is noted that the wave behavior is a combination of the linear results with an amplification of wave 1 and a strong dependence on the relative phases of waves 1 and 2 in the stratosphere.

Robinson, W. A.↗
DOE OSTI2017

Quantum Correlated Multi-Fragment Reaction Imaging

This grant supported research in basic atomic, molecular and optical physics related to the interactions of atoms with particles and fields. This report will focus on the 12 year period from 2004 to 2017, although the DOE–BES has supported my research every year since 1986. All of the support from the grant was used to pay summer salaries of the PI and students and travel to conferences and meetings. The results were in the form of publications in peer reviewed journals as well as conference invited talks and colloquiums. There were 12 peer reviewed publications in these 12+ years. Innovations in few-body science at molecular and nano levels are a critical component of on- going efforts to establish sustainable environmental and energy resources. The varied research paths taken will require the development of basic science on broad fronts with increasing flexi- bility to crossover technologies. We thus worked to extract understanding and quantum control of few-body microscopic systems based on our long-time experience with more conventional studies of correlated electrons and ions. Given the enormous advances over the past 20 years to our understanding of quantum cor- relations with photon interferometry, AMO collision science generally is ready to move beyond the one-particle, single-port momentum detection that has dominated collision physics since Rutherford. Nevertheless, our familiar theoretical tools for collision theory need to be up- graded to incorporate these more generalized measurement formalisms and ultimately to give incentive for a new generation of experiments. Our interest in these topics remains motivated by the recent surge in and success of exper- iments involving few-body atomic and molecular fragmentation and the detection of all the fragments. The research described here thus involved two parallel efforts with (i) emphasis on reaction imaging while (ii) pursuing longtime work on quantum correlated collective excitations.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

EFRC-MUSE: Multi-Scale Fluid-Solid Interactions in Architected and Natural Materials

Phase interactions and fluid properties in geological and other environments are critical in applications ranging from hydrogen production and geologic storage and recovery, carbon dioxide storage and sequestration, and the sustainable use of water resources. The four goals of EFRC-MUSE: Multi-Scale Fluid-Solid Interactions in Architected and Natural Materials were based on the priority directions articulated in the Basic Research Needs documents, and the scientific needs in nanoscience. 1. Develop a fundamental understanding of confinement and surface interactions in mesoscale media with nanometer-sized pores on the phase behavior, thermodynamic and multiphase flow properties of multicomponent fluid mixtures. 2. Examine the impact of mineralogy and material heterogeneity on mechanical properties to better understand chemo-mechanical interactions in material failure. 3. Determine in-operando cross-scale structural and nanostructural material properties with fluids in confinement and flow under realistic condi

58 GEOSCIENCES↗
DOE OSTI2015

EVIDENCE OF LANDAU AND CYCLOTRON RESONANCE BETWEEN PROTONS AND KINETIC WAVES IN SOLAR WIND TURBULENCE

The wave–particle interaction processes occurring in the solar wind provide crucial information to understand the wave dissipation and simultaneous particle heating in plasma turbulence. One requires observations of both wave fluctuations and particle kinetics near the dissipation range, which have, however, not yet been analyzed simultaneously. Here we show new evidence of wave–particle interactions by combining the diagnosis of wave modes with the analysis of particle kinetics on the basis of measurements from the WIND spacecraft with a high cadence of about 3 s. Solar wind protons appear to be highly dynamic in their velocity distribution consisting of varying anisotropic core and beam components. The basic scenario of solar wind proton heating through wave–particle interaction is suggested to be the following. Left-handed cyclotron resonance occurs continuously, and is evident from the observed proton core velocity distribution and the concurrent quasi-parallel left-handed Alfvén cyclotron waves. Landau and right-handed cyclotron resonances are persistent and indicated by the observed drifting anisotropic beam and the simultaneous quasi-perpendicular right-handed kinetic Alfvén waves in a general sense. The persistence of non-gyrotropic proton distributions may cast new light on the nature of the interaction between particles and waves near and beyond the proton gyro-frequency.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1984

Interaction of atomic oxygen with solid surfaces at orbital altitudes (A0114)

The basic approach to this experiment is to expose a wide variety of material surfaces to the atomic flux in orbit. The experiment is passive and depends on preflight and postflight measurements of the test surfaces in the laboratory. The experiment will also include a reflectometer device to measure atomic beam reflection angles and thus momentum accommodations, and a unique passive spacecraft attitude sensor. Samples consisting of solid disks or thin film coatings on substrate disks will be mounted in a panel. The face of this panel will be flown on Long Duration Exposure Facility normal to the incident stream of oxygen atoms. Each disk will have part of its front surface masked so exposure to the atomic-oxygen reaction will be limited to selected areas, the shadowed areas being used as control surfaces in the measurements. A typical sample is an optically flat quartz disk overcoated with a film of the material of interest. These include Ag, Au, Pt, Nb, Ni, Al, C, Si, Ge, LiF, and a few engineering materials. Some materials for which the expected removal rate is high, such as carbon, will be solid disks rather than thin films.

Gregory, J. C.↗
NASA NTRS1996

Advanced interactive display formats for terminal area traffic control

This report describes the basic design considerations for perspective air traffic control displays. A software framework has been developed for manual viewing parameter setting (MVPS) in preparation for continued, ongoing developments on automated viewing parameter setting (AVPS) schemes. Two distinct modes of MVPS operations are considered, both of which utilize manipulation pointers imbedded in the three-dimensional scene: (1) direct manipulation of the viewing parameters -- in this mode the manipulation pointers act like the control-input device, through which the viewing parameter changes are made. Part of the parameters are rate controlled, and part of them position controlled. This mode is intended for making fast, iterative small changes in the parameters. (2) Indirect manipulation of the viewing parameters -- this mode is intended primarily for introducing large, predetermined changes in the parameters. Requests for changes in viewing parameter setting are entered manually by the operator by moving viewing parameter manipulation pointers on the screen. The motion of these pointers, which are an integral part of the 3-D scene, is limited to the boundaries of the screen. This arrangement has been chosen in order to preserve the correspondence between the spatial lay-outs of the new and the old viewing parameter setting, a feature which contributes to preventing spatial disorientation of the operator. For all viewing operations, e.g. rotation, translation and ranging, the actual change is executed automatically by the system, through gradual transitions with an exponentially damped, sinusoidal velocity profile, in this work referred to as 'slewing' motions. The slewing functions, which eliminate discontinuities in the viewing parameter changes, are designed primarily for enhancing the operator's impression that he, or she, is dealing with an actually existing physical system, rather than an abstract computer-generated scene. The proposed, continued research efforts will deal with the development of automated viewing parameter setting schemes. These schemes employ an optimization strategy, aimed at identifying the best possible vantage point, from which the air traffic control scene can be viewed for a given traffic situation. They determine whether a change in viewing parameter setting is required and determine the dynamic path along which the change to the new viewing parameter setting should take place.

Grunwald, Arthur J.↗
NASA NTRS1999

Advanced Interactive Display formats for Terminal Area Traffic Control

This report describes the basic design considerations for perspective Air Traffic Control displays. A software framework has been developed for manual viewing parameter setting (MVPS) in preparation for continued, ongoing developments on automated viewing parameter setting (AVPS) schemes. Two distinct modes of MVPS operations are considered, both of which utilize manipulation pointers imbedded in the three-dimensional scene: (1) direct manipulation of the viewing parameters; in this mode the manipulation pointers act like the control-input device, through which the viewing parameter changes are made. Part of the parameters are rate controlled, and part of them position controlled. This mode is intended for making fast, iterative small changes in the parameters. (2) indirect manipulation of the viewing parameters. This mode is intended primarily for introducing large, predetermined changes in the parameters. Requests for changes in viewing parameter setting are entered manually by the operator by moving viewing parameter manipulation pointers on the screen. The motion of these pointers, which are an integral part of the 3-D scene, is limited to the boundaries of screen. This arrangement has been chosen, in order to preserve the correspondence between the spatial lay-outs of the new and the old viewing parameter setting, a feature which contributes to preventing spatial disorientation of the operator. For all viewing operations, e.g. rotation, translation and ranging, the actual change is executed automatically by the system, through gradual transitions with an exponentially damped, sinusoidal velocity profile, in this work referred to as 'slewing' motions. The slewing functions, which eliminate discontinuities in the viewing parameter changes, are designed primarily for enhancing the operator's impression that he, or she, is dealing with an actually existing physical system, rather than an abstract computer-generated scene, The proposed, continued research efforts will deal with the development of automated viewing parameter setting schemes. These schemes employ an optimization strategy, aimed at identifying the best possible vantage point, from which the Air Traffic Control scene can be viewed for a given traffic situation. They determine whether a change in viewing parameter setting is required and determine the dynamic path along which the change to the new viewing parameter setting should take place.

Grunwald, Arthur J.↗
DOE OSTI2015

Secondary PDZ domain-binding site on class B plexins enhances the affinity for PDZ–RhoGEF

PDZ domains are abundant protein interaction modules and typically recognize a short motif at the C terminus of their ligands, with a few residues in the motif endowing the binding specificity. The sequence-based rules, however, cannot fully account for the specificity between the vast number of PDZ domains and ligands in the cell. Plexins are transmembrane receptors that regulate processes such as axon guidance and angiogenesis. Two related guanine nucleotide exchange factors (GEFs), PDZ–RhoGEF and leukemia-associated RhoGEF (LARG), use their PDZ domains to bind class B plexins and play critical roles in signaling. Here, we present the crystal structure of the full-length cytoplasmic region of PlexinB2 in complex with the PDZ domain of PDZ–RhoGEF. The structure reveals that, in addition to the canonical C-terminal motif/PDZ interaction, the 3D domain of PlexinB2 forms a secondary interface with the PDZ domain. Our biophysical and cell-based assays show that the secondary interface contributes to the specific interaction between plexin and PDZ–RhoGEF and to signaling by plexin in the cell. As a result, formation of secondary interfaces may be a general mechanism for increasing affinity and specificity of modular domain-mediated interactions.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1983

A case study of gravity waves-convective storms interaction 9 May 1979

An analysis is presented of a series of severe storms which occurred in the north central United States on 9 May 1979 and whose spatial distribution and movement correlate well with observed gravity waves. Two gravity wave trains of 2.1-3 mb amplitude, 2.5-3.3 h period and 240-265 km horizontal wavelength were isolated through power spectra analysis and cross-correlation techniques applied to National Weather Service barograph traces. The wave trains propagated in the 200 deg direction, which coincided with the jet axis, with a phase velocity of 20-30 m/s and within a 300 km wide band. The storms were identified on enhanced infrared GOES satellite pictures with the help of radar summaries. These convective systems initially developed in Nebraska and propagated north-northeast at 25 m/s, revealing wave-like characteristics with a separation of 300-400 km. The convective systems were closely linked to the observed wave trains with cell intensity, height and associated rainfall maximized at the wave ridge. One of the two wave trains developed in regions of weak or no convection and appeared to initiate more intense convective clusters downstream from the point of origin. It is shown that the characteristics of the wave trains are consistent with those of gravity waves generated in a region of strong vertical shear associated with the jet. It is suggested that the wave trains continue to extract energy from the basic state all along their track through critical level interaction.

Stobie, J. G.↗
NASA NTRS1988

Development of an integrated BEM approach for hot fluid structure interaction

In the present work, the boundary element method (BEM) is chosen as the basic analysis tool, principally because the definition of temperature, flux, displacement and traction are very precise on a boundary-based discretization scheme. One fundamental difficulty is, of course, that a BEM formulation requires a considerable amount of analytical work, which is not needed in the other numerical methods. Progress made toward the development of a boundary element formulation for the study of hot fluid-structure interaction in Earth-to-Orbit engine hot section components is reported. The primary thrust of the program to date has been directed quite naturally toward the examination of fluid flow, since boundary element methods for fluids are at a much less developed state.

Dargush, Gary F.↗
NASA NTRS1992

Swept shock/boundary layer interaction experiments in support of CFD code validation

Research on the topic of shock wave/turbulent boundary-layer interaction was carried out during the past three years at the Penn State Gas Dynamics Laboratory. This report describes the experimental research program which provides basic knowledge and establishes new data on heat transfer in swept shock wave/boundary-layer interactions. An equilibrium turbulent boundary-layer on a flat plate is subjected to impingement by swept planar shock waves generated by a sharp fin. Five different interactions with fin angle ranging from 10 deg to 20 deg at freestream Mach numbers of 3.0 and 4.0 produce a variety of interaction strengths from weak to very strong. A foil heater generates a uniform heat flux over the flat plate surface, and miniature thin-film-resistance sensors mounted on it are used to measure the local surface temperature. The heat convection equation is then solved for the heat transfer distribution within an interaction, yielding a total uncertainty of about +/- 10 percent. These experimental data are compared with the results of numerical Navier-Stokes solutions which employ a k-epsilon turbulence model. Finally, a simplified form of the peak heat transfer correlation for fin interactions is suggested.

Settles, G. S.↗
DOE OSTI2025

High-Fidelity Modeling of Fuel-To-Coolant Thermomechanical Transport Behaviors Under Transient Conditions

This report summarizes the work completed under NEUP project number 21-24006. The objectives of this project are to advance the high-fidelity modeling capabilities and important phenomena that is important for high-burnup UO 2 and accident tolerant fuels (ATF) during transient conditions. Accurate modeling of the time-dependent phenomena that impact material performance must be used to determine the figures of merit and safety margin. Phenomena such as fuel fragmentation, cladding oxidation, pellet-clad interaction, clad ballooning, and clad rupture are examples that pose challenges to modeling during these transients. This project focused on the development of high-fidelity tightly coupled multiphysics models that can capture the time-dependent material response and associated thermal hydraulic conditions during these events. These models can then be validated against existing separate effects tests and in-pile integral experiments and will be used to model Transient Reactor Test facility (TREAT) loss-of-coolant accidents (LOCA) experiments. To achieve the project objective, we used a combination of NEAMS and NRC codes to model various LOCA test sets for the separate effects and in-pile integral experiments. BlueCRAB tool set, which can accurately predict material response at a sub-fuel pin level, as well as modeling the entire reactor system response to these events. Fuel performance was modeled using BISON (various versions) and FAST (version 1.2.1). BISON and FAST can model on a sub-fuel pin level the fuel performance under transient conditions. Both have simplified thermal hydraulic models that are capable of providing basic coolant boundary conditions. To better capture the thermomechanical interaction between the fuel, clad, and coolant, more sophisticated thermal hydraulic models are necessary.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Select Advances in Computational Accelerator Physics

Computational accelerator physics has changed and broadened over the last decade or so. Part of the change is due to the advent of multiple ways of parallel computing. Another part comes from algorithmic developments. The multiple ways of parallel computing include distributed memory parallelism and on-chip parallelism, with the latter coming from architectures (CPU and GPU) having multiple processing elements (cores or streaming multiprocessors) and wide vector (SIMD) instruction units. The basics of these new architectures and their application to computational accelerator physics are briefly reviewed. Algorithmic advances in the select areas of spin tracking, cavity calculations, plasma acceleration, and electron cooling are also reviewed. In some cases the algorithms provide increased fidelity improving the overall accuracy, while in other cases, such as controlled dispersion, the algorithms provide increased fidelity by better modeling the essential physical interaction. Finally, the use of computational frameworks, which provide the basic computational infrastructure, while allowing the capability developer to concentrate on the math and physics, is reviewed in the context of the Vorpal application, which has found use across accelerator physics and many other fields.

Engineering↗
NASA NTRS1983

Observation of wave-wave interactions in the stratosphere

Data from the LIMS instrument for January 1979 are used to provide further evidence for the often observed vacillation between the amplitudes of waves 1 and 2 in the stratosphere. The vacillation is shown to result primarily from nonlinear wave-wave interactions within the stratosphere. Two ways of interpreting nonlinearity are discussed. In the first, the basic state is defined to include large amplitude waves as well as the mean zonal wind. A forced wave propagates with respect to this asymmetric basic state, which can lead to changes in the conventional zonal wavenumber measured at one latitude. The other view of nonlinearity, interaction of wave with the zonal flow and with other wavenumbers are considered separately. Wave-wave interactions among waves 1, 2 and 3 are calculated. The derivation and computation of wave-wave interaction terms in the potential enstrophy balance are given. The observations indicate that enstrophy transfer among waves can be substantial even when the amplitude of one of the contributing waves is small. The computed enstrophy balance also demonstrates that wave-wave interactions can have a large effect on the interaction of waves with the mean flow.

Smith, A. K.↗
DOE OSTI2017

Surface Modification of Rock-Forming Minerals of Diamond-Bearing Kimberlites under Interaction with Wastewater and Electrochemically Treated Water

The structural and chemical surface transformation of basic kimberlite-forming minerals (calcite, olivine, serpentine) under the contact with natural and waste mineralized water and products of electrochemical treatment of the water are studied using X-ray photoelectronic spectroscopy, scanning electron microscopy and X-ray spectral micro-analysis, and atomic force microscopy. It is found that contact with kimberlite extract and recycling water induces chemical modification of calcite surface, which consists in adsorption of hydrocarbon impurities, and chlorine- and silica-bearing compounds, majority of which are removed during interaction with the product of electrochemical treatment of recycling water. The change in the structural and chemical surface properties of rock-forming silicates, aside from adsorption–desorption of organic compound, is also connected with the distortion of nano-size layer structure after leaching of Mg, Fe and Si, and with the carbonatization of the surface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

Lessons from an evolving rRNA: 16S and 23S rRNA structures from a comparative perspective

The 16S and 23S rRNA higher-order structures inferred from comparative analysis are now quite refined. The models presented here differ from their immediate predecessors only in minor detail. Thus, it is safe to assert that all of the standard secondary-structure elements in (prokaryotic) rRNAs have been identified, with approximately 90% of the individual base pairs in each molecule having independent comparative support, and that at least some of the tertiary interactions have been revealed. It is interesting to compare the rRNAs in this respect with tRNA, whose higher-order structure is known in detail from its crystal structure (36) (Table 2). It can be seen that rRNAs have as great a fraction of their sequence in established secondary-structure elements as does tRNA. However, the fact that the former show a much lower fraction of identified tertiary interactions and a greater fraction of unpaired nucleotides than the latter implies that many of the rRNA tertiary interactions remain to be located. (Alternatively, the ribosome might involve protein-rRNA rather than intramolecular rRNA interactions to stabilize three-dimensional structure.) Experimental studies on rRNA are consistent to a first approximation with the structures proposed here, confirming the basic assumption of comparative analysis, i.e., that bases whose compositions strictly covary are physically interacting. In the exhaustive study of Moazed et al. (45) on protection of the bases in the small-subunit rRNA against chemical modification, the vast majority of bases inferred to pair by covariation are found to be protected from chemical modification, both in isolated small-subunit rRNA and in the 30S subunit. The majority of the tertiary interactions are reflected in the chemical protection data as well (45). On the other hand, many of the bases not shown as paired in Fig. 1 are accessible to chemical attack (45). However, in this case a sizeable fraction of them are also protected against chemical modification (in the isolated rRNA), which suggests that considerable higher-order structure remains to be found (although all of it may not involve base-base interactions and so may not be detectable by comparative analysis). The agreement between the higher-order structure of the small-subunit rRNA and protection against chemical modification is not perfect, however; some bases shown to covary canonically are accessible to chemical modification (45).(ABSTRACT TRUNCATED AT 400 WORDS).

Review↗